Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.52 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.51 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.46 |
| ▸ | CCNC | P24863 | 2/20 | 0.46 |
| ▸ | CDK8 | P49336 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | ATR | Q13535 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PI4KA | P42356 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29859342 | 0.85 | KMO (0.57) | GSK3BPIK3CBPIK3CDPIK3CAPI4KA | |
| SCHEMBL945743 | 0.85 | GSK3B (0.63) | GSK3BPIK3CBMKNK1MKNK2TLR8 | |
| SCHEMBL27772527 | 0.81 | MKNK1 (0.51) | GSK3BPIK3CBMKNK1MKNK2CCNC | |
| Hydrochloric Acid SCHEMBL9792812 | 0.80 | MKNK1 (0.52) | GSK3BPIK3CBMKNK1MKNK2CCNC | |
| SCHEMBL956760 | 0.79 | GSK3B (0.45) | GSK3BPIK3CBMKNK1MKNK2KCNH2 | |
| SCHEMBL933914 | 0.79 | MKNK1 (0.59) | MKNK1MKNK2CYP11B2ADORA3TSHR | |
| SCHEMBL30761107 | 0.79 | MKNK1 (0.59) | MKNK1MKNK2CYP11B2ADORA3TSHR | |
| SCHEMBL3346810 | 0.77 | MKNK1 (0.52) | PIK3CBMKNK1MKNK2CYP11B2KCNH2 | |
| SCHEMBL3422269 | 0.77 | DYRK1A (0.56) | PIK3CBPIK3CDPIK3CAPI4KAPIK3CG | |
| SCHEMBL12269997 | 0.76 | CCNT1 (0.55) | GSK3BMKNK1MKNK2CCNCCDK8 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105658639-A | Alkynyl alcohols and methods of use | 豪夫迈·罗氏有限公司 | 2016-06-08 | — | — | CN | disclosed |